Lot numbers can be found on the outside label of a product:
Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
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CAS No. 58101-23-8
- Cat. No. CS-0099788
- Purity≥95%
- MDL No.MFCD03424828
*For research and further manufacturing use only, not for direct human use.
Structure of 58101-23-8
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General Information
- CAS No. 58101-23-8
- Cat. No. CS-0099788
- Purity ≥95%
- MDL No. MFCD03424828
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₀F₂O₃
- Molecular Weight None
- Synonym(s) ETHYL-(2,4-DIFLUOROPHENYL)-3-OXOPROPANOATE
- SMILES O=C(CC(C1=CC=C(C=C1F)F)=O)OCC
Description
Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate features a conjugated β-keto ester framework flanked by electron-deficient aryl substituents, enabling efficient enolization and nucleophilic addition. This bench-stable reagent integrates readily into heterocyclic synthesis pathways, particularly in the construction of fluorinated pyran and quinoline derivatives under mild conditions.
Application
Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate serves as a versatile β-keto ester building block for constructing fluorinated heterocycles and bioactive scaffolds. Its electrophilic α-carbon facilitates nucleophilic addition, condensation, and cyclization reactions under standard conditions. The 2,4-difluorophenyl moiety enhances metabolic stability and modulates electronic properties, making it valuable in medicinal chemistry campaigns. Bench-stable and amenable to straightforward purification, it functions reliably in multistep synthesis workflows.
Synthesis
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Route1
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64-17-5 -
1404449-01-9
- ~91%
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In-stock
58101-23-8
References
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Li, Sai; Jiang, Rui; Qin, Mingze; Liu, Haicheng; Zhang, Guangyan; Gong, Ping Archiv der Pharmazie, 2013 , vol. 346, # 7 p. 521 - 533
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Route2
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188394-40-3
- ~%
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In-stock
58101-23-8
References
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US5457104 A1, ;
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Route3
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In-stock
1583-58-0 - ~%
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In-stock
58101-23-8
References
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US2012/277224 A1, ; US 20120277224 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 2.1007
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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